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A high-pressure study of EuN using XRD and DFT

Solid State Communications(2022)

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摘要
The equation of state (EOS) of europium nitride (EuN) at high pressure has been investigated using synchrotron radiation X-ray diffraction (XRD) at room temperature in a diamond anvil cell (DAC) and density functional theory (DFT) methods. Analysis of the XRD data shows that the face-centred cubic structure was maintained to the experimental maximum pressure of 43 GPa. The bulk modulus calculated from the XRD data is 148.3 (1.8) GPa and the first order derivative of the bulk modulus is 6.50 (0.19). In addition, the compression behaviour of EuN at high pressures was studied by first principles calculations. The derived bulk modulus is 138 (2) GPa.
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关键词
Equation of state,EuN,High pressure,In-situ XRD,First principles calculations
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